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115591-23-6 | 1H-1,2,4-Triazole, 5-ethenyl-1,3-diphenyl-
CAS No: 115591-23-6 Catalog No: AG000G89 MDL No:
Product Description
Catalog Number:
AG000G89
Chemical Name:
1H-1,2,4-Triazole, 5-ethenyl-1,3-diphenyl-
CAS Number:
115591-23-6
Molecular Formula:
C16H13N3
Molecular Weight:
247.2945
IUPAC Name:
5-ethenyl-1,3-diphenyl-1,2,4-triazole
InChI:
InChI=1S/C16H13N3/c1-2-15-17-16(13-9-5-3-6-10-13)18-19(15)14-11-7-4-8-12-14/h2-12H,1H2
InChI Key:
JGDZCNWXTIDCSJ-UHFFFAOYSA-N
SMILES:
C=Cc1nc(nn1c1ccccc1)c1ccccc1
Properties
Complexity:
292
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
247.111g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
247.301g/mol
Monoisotopic Mass:
247.111g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
30.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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